N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide

C20H24N2O4 — CID 19104969

IUPACN-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide
SMILESCCOC(CNC(=O)C(=O)Cc1ccccc1)(OCC)c1cccnc1
InChIInChI=1S/C20H24N2O4/c1-3-25-20(26-4-2,17-11-8-12-21-14-17)15-22-19(24)18(23)13-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24)
InChIKeyVZIUSNZWMZQFIK-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.24
Rot. Bonds10

About N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide

N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide (PubChem CID 19104969) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide
PubChem CID19104969
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide
SMILESCCOC(CNC(=O)C(=O)Cc1ccccc1)(OCC)c1cccnc1
InChIInChI=1S/C20H24N2O4/c1-3-25-20(26-4-2,17-11-8-12-21-14-17)15-22-19(24)18(23)13-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24)
InChIKeyVZIUSNZWMZQFIK-UHFFFAOYSA-N
XLogP2.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
CID 66868100
CID 66868100
ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
CID 175234972
2-acetyloxy-2-(1-ethoxy-1-pyridin-3-ylpropyl)propanedioic acid
CID 57361139
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
CID 71788826
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide?
The IUPAC name of N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide (CID 19104969) is N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide is CCOC(CNC(=O)C(=O)Cc1ccccc1)(OCC)c1cccnc1.
What is the InChIKey of N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide?
The InChIKey is VZIUSNZWMZQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-20(26-4-2,17-11-8-12-21-14-17)15-22-19(24)18(23)13-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24).
What are the key properties of N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide?
N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide has a molecular weight of 356.42 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide is sourced from PubChem (CID 19104969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).